You can submit a workflow to the webapp that can contain any parameter that haddock3 cli accepts. However we do not want a user to tell the webapp for example which run dir, queue to use, which cns executable, etc. The webapp should control most of the global parameters except molecules parameter and preprocess parameter.
Currently the global schema of the catalog has properties hidden at /app/catalogs/index.server.ts:hideExecutionParameters() so the user can not set them.
Currently the submitted workflow is rewritten at /app/models/applicaton.server.ts:rewriteConfig() to defaults fit for bartender job service.
The following parameters can be rewritten with environment variables:
- Number of CPU cores (ncores) with
HADDOCK3_NCORESenvironment variable. If not set uses haddock3 default.